@MOLECULE FDBD02973 59 60 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0162 1.3449 0.0094 C.ar 1 UNK 0.0312 2 C1 1.1849 2.0326 0.0017 C.ar 1 UNK 0.1363 3 C2 2.3943 1.2858 -0.0139 C.ar 1 UNK 0.2325 4 N 2.3395 -0.0351 -0.0205 N.ar 1 UNK -0.1569 5 C3 1.1685 -0.6726 -0.0127 C.ar 1 UNK 0.3536 6 O 1.1551 -1.8916 -0.0191 O.2 1 UNK -0.2443 7 N1 0.0021 -0.0041 0.0020 N.ar 1 UNK -0.2691 8 C4 -1.2604 -0.7472 0.0101 C.3 1 UNK 0.1680 9 H -2.1017 -0.0634 0.1233 H 1 UNK 0.0867 10 C5 -1.4080 -1.5708 -1.2885 C.3 1 UNK 0.1286 11 H1 -0.4298 -1.7781 -1.7225 H 1 UNK 0.0665 12 C6 -2.0842 -2.8812 -0.8271 C.3 1 UNK 0.1137 13 H2 -1.4403 -3.7363 -1.0330 H 1 UNK 0.0647 14 C7 -2.2652 -2.6943 0.6956 C.3 1 UNK 0.1182 15 H3 -3.2616 -2.3105 0.9150 H 1 UNK 0.0648 16 C8 -2.0329 -4.0184 1.4261 C.3 1 UNK 0.1493 17 H4 -2.6887 -4.7830 1.0098 H 1 UNK 0.0642 18 C9 -0.5965 -4.4411 1.2552 C.2 1 UNK 0.3279 19 O1 0.1104 -4.5849 2.2244 O.2 1 UNK -0.2488 20 O2 -0.1024 -4.6578 0.0261 O.3 1 UNK -0.4793 21 N2 -2.3253 -3.8476 2.8515 N.am 1 UNK -0.2989 22 C10 -2.6844 -4.9108 3.5978 C.2 1 UNK 0.2332 23 O3 -2.7655 -6.0090 3.0895 O.2 1 UNK -0.2740 24 C11 -2.9852 -4.7351 5.0640 C.3 1 UNK 0.1110 25 H5 -2.2716 -4.0361 5.5001 H 1 UNK 0.0581 26 C12 -4.4037 -4.1867 5.2315 C.3 1 UNK 0.1077 27 H6 -4.4830 -3.2241 4.7264 H 1 UNK 0.0641 28 C13 -4.7091 -4.0083 6.7200 C.3 1 UNK 0.1169 29 H7 -4.0533 -3.2437 7.1364 H 1 UNK 0.0654 30 C14 -6.1674 -3.5792 6.8936 C.3 1 UNK 0.1223 31 O4 -6.4250 -3.2955 8.2942 O.3 1 UNK -0.4478 32 C15 -7.6709 -2.9021 8.6190 C.2 1 UNK 0.3977 33 O5 -8.5198 -2.7985 7.7558 O.2 1 UNK -0.2267 34 N3 -7.9766 -2.6230 9.9017 N.am 1 UNK -0.2950 35 O6 -4.4920 -5.2450 7.4024 O.3 1 UNK -0.3858 36 O7 -5.3393 -5.1032 4.6598 O.3 1 UNK -0.3871 37 N4 -2.8782 -6.0325 5.7447 N.3 1 UNK -0.3178 38 O8 -1.2612 -1.7255 1.0725 O.3 1 UNK -0.3455 39 O9 -3.3508 -3.0438 -1.4685 O.3 1 UNK -0.3864 40 O10 -2.2351 -0.8811 -2.2277 O.3 1 UNK -0.3847 41 O11 3.5866 1.9189 -0.0223 O.3 1 UNK -0.4917 42 C16 1.2094 3.5040 0.0088 C.2 1 UNK 0.3434 43 O12 0.1671 4.1290 0.0218 O.2 1 UNK -0.2449 44 O13 2.3876 4.1584 0.0011 O.3 1 UNK -0.4770 45 H8 -0.9541 1.8802 0.0257 H 1 UNK 0.0821 46 H9 0.8243 -4.9274 -0.0333 H 1 UNK 0.2951 47 H10 -2.2604 -2.9693 3.2580 H 1 UNK 0.1496 48 H11 -6.3556 -2.6839 6.3010 H 1 UNK 0.0725 49 H12 -6.8246 -4.3816 6.5586 H 1 UNK 0.0725 50 H13 -7.2989 -2.7057 10.5908 H 1 UNK 0.1482 51 H14 -8.8742 -2.3396 10.1357 H 1 UNK 0.1482 52 H15 -5.0435 -5.9724 7.0831 H 1 UNK 0.2100 53 H16 -5.3241 -5.9826 5.0615 H 1 UNK 0.2100 54 H17 -3.5303 -6.6984 5.3582 H 1 UNK 0.1190 55 H18 -1.9339 -6.3855 5.7038 H 1 UNK 0.1190 56 H19 -3.2986 -3.1063 -2.4320 H 1 UNK 0.2100 57 H20 -2.3615 -1.3536 -3.0618 H 1 UNK 0.2101 58 H21 4.3482 1.3231 -0.0328 H 1 UNK 0.2938 59 H22 2.3531 5.1247 0.0063 H 1 UNK 0.2954 @BOND 1 1 7 ar 2 1 2 ar 3 1 45 1 4 2 3 ar 5 2 42 1 6 3 4 ar 7 3 41 1 8 4 5 ar 9 5 6 2 10 5 7 ar 11 7 8 1 12 8 9 1 13 8 38 1 14 8 10 1 15 10 11 1 16 10 12 1 17 10 40 1 18 12 13 1 19 12 14 1 20 12 39 1 21 14 15 1 22 14 16 1 23 14 38 1 24 16 17 1 25 16 18 1 26 16 21 1 27 18 19 2 28 18 20 1 29 20 46 1 30 21 22 am 31 21 47 1 32 22 23 2 33 22 24 1 34 24 25 1 35 24 26 1 36 24 37 1 37 26 27 1 38 26 28 1 39 26 36 1 40 28 29 1 41 28 30 1 42 28 35 1 43 30 31 1 44 30 48 1 45 30 49 1 46 31 32 1 47 32 33 2 48 32 34 am 49 34 50 1 50 34 51 1 51 35 52 1 52 36 53 1 53 37 54 1 54 37 55 1 55 39 56 1 56 40 57 1 57 41 58 1 58 42 43 2 59 42 44 1 60 44 59 1